T-2635

Structural Information

Molecular Formula

C₁₉₅H₃₀₈N₅₈O₆₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)C

InChI

InChI=1S/C195H308N58O62/c1-26-90(10)149(250-164(288)102(22)223-165(289)115(44-35-73-210-192(202)203)231-185(309)136(84-148(276)277)248-183(307)133(81-107-85-214-112-41-31-29-39-110(107)112)245-163(287)100(20)221-168(292)122(55-65-141(262)263)238-182(306)134(82-108-86-215-113-42-32-30-40-111(108)113)249-190(314)153(104(24)255)253-191(315)152(103(23)254)226-105(25)256)187(311)225-101(21)160(284)229-125(58-68-144(268)269)178(302)246-132(80-106-48-50-109(257)51-49-106)180(304)224-95(15)157(281)216-96(16)158(282)227-118(47-38-76-213-195(208)209)179(303)251-150(91(11)27-2)189(313)241-124(57-67-143(266)267)169(293)222-99(19)162(286)244-131(79-89(8)9)186(310)252-151(92(12)28-3)188(312)240-116(45-36-74-211-193(204)205)166(290)219-93(13)155(279)217-97(17)159(283)228-119(52-62-137(197)258)172(296)236-127(60-70-146(272)273)176(300)234-120(53-63-138(198)259)173(297)233-121(54-64-139(199)260)174(298)237-126(59-69-145(270)271)175(299)230-114(43-33-34-72-196)171(295)247-135(83-140(200)261)184(308)239-123(56-66-142(264)265)167(291)220-94(14)156(280)218-98(18)161(285)243-130(78-88(6)7)181(305)232-117(46-37-75-212-194(206)207)170(294)235-128(61-71-147(274)275)177(301)242-129(154(201)278)77-87(4)5/h29-32,39-42,48-51,85-104,114-136,149-153,214-215,254-255,257H,26-28,33-38,43-47,52-84,196H2,1-25H3,(H2,197,258)(H2,198,259)(H2,199,260)(H2,200,261)(H2,201,278)(H,216,281)(H,217,279)(H,218,280)(H,219,290)(H,220,291)(H,221,292)(H,222,293)(H,223,289)(H,224,304)(H,225,311)(H,226,256)(H,227,282)(H,228,283)(H,229,284)(H,230,299)(H,231,309)(H,232,305)(H,233,297)(H,234,300)(H,235,294)(H,236,296)(H,237,298)(H,238,306)(H,239,308)(H,240,312)(H,241,313)(H,242,301)(H,243,285)(H,244,286)(H,245,287)(H,246,302)(H,247,295)(H,248,307)(H,249,314)(H,250,288)(H,251,303)(H,252,310)(H,253,315)(H,262,263)(H,264,265)(H,266,267)(H,268,269)(H,270,271)(H,272,273)(H,274,275)(H,276,277)(H4,202,203,210)(H4,204,205,211)(H4,206,207,212)(H4,208,209,213)/t90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103+,104+,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,149-,150-,151-,152-,153-/m0/s1

InChIKey

DEJUMNCWWUNGLS-KIHZQOJVSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S,3R)-2-acetamido-3-hydroxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 49768005